4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine

C12H17F3N4 — CID 79176141

IUPAC4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
SMILESCc1cc(N2CCN(CC(F)(F)F)CC2)ncc1N
InChIInChI=1S/C12H17F3N4/c1-9-6-11(17-7-10(9)16)19-4-2-18(3-5-19)8-12(13,14)15/h6-7H,2-5,8,16H2,1H3
InChIKeyZZZYORWCUCAHEJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.66
Rot. Bonds2

About 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine

4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 79176141) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
PubChem CID79176141
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
SMILESCc1cc(N2CCN(CC(F)(F)F)CC2)ncc1N
InChIInChI=1S/C12H17F3N4/c1-9-6-11(17-7-10(9)16)19-4-2-18(3-5-19)8-12(13,14)15/h6-7H,2-5,8,16H2,1H3
InChIKeyZZZYORWCUCAHEJ-UHFFFAOYSA-N
XLogP1.66
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal
CID 87698856
6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine
CID 79176414
2-(4-ethylpiperazin-1-yl)-5-methylpyridin-4-amine
CID 83265203
6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine
CID 131019719
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 107082997
1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine
CID 114926345
5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
CID 79535453
1-[4-(5-amino-4-methyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 79176493
1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
CID 115773789
6-(3-methoxyazetidin-1-yl)-4-methylpyridin-3-amine
CID 130546644
2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 83265901
[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 80628715

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine (CID 79176141) is 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine is Cc1cc(N2CCN(CC(F)(F)F)CC2)ncc1N.
What is the InChIKey of 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is ZZZYORWCUCAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-9-6-11(17-7-10(9)16)19-4-2-18(3-5-19)8-12(13,14)15/h6-7H,2-5,8,16H2,1H3.
What are the key properties of 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine?
4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 79176141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).